INTEGRATED BIOASSAY, GC–MS, AND MOLECULAR DOCKING ANALYSIS OF PLANT-DERIVED COMPOUNDS AGAINST DIAPHANIA PULVERULENTALIS

Abstract

This study aimed to evaluate the insecticidal potential of selected plant extracts against Diaphania pulverulentalis by integrating experimental and computational approaches. The chemical constituents of the plant extracts were identified using gas chromatography–mass spectrometry (GC–MS), which revealed the presence of several bioactive compounds with known insecticidal properties. These compounds were subsequently selected for biological assessment and molecular interaction analysis. Laboratory bioassays were conducted using the leaf dip method under a Completely Randomized Design (CRD), and larval mortality was recorded at 24, 48, and 72 hours after treatment at concentrations of 500, 1500, and 2000 ppm. The results showed a progressive increase in larval mortality with higher concentrations and longer exposure periods. Certain plant extracts exhibited strong insecticidal activity and performed comparably to the standard insecticide, Dichlorvos. To better understand the possible mode of action, molecular docking studies were performed against Juvenile Hormone Epoxide Hydrolase (JHEH), a key enzyme involved in insect growth and development. The GC–MS-identified compounds demonstrated strong binding affinity for the target protein, indicating their potential to disrupt normal physiological processes in the insect. Overall, the findings revealed a significant correlation between bioassay results and molecular docking interactions. The study concludes that plant-derived compounds represent promising, environmentally safer alternatives to conventional insecticides and highlights the effectiveness of integrating GC–MS, bioassay, and molecular docking approaches in pest management research.